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[热点] 酰胺脱乙酰基 chibby 2026-02-05 刚刚
[Gromacs ] [已完结][关贴]溶剂盒子 (0/239) liudiwen 2012-04-27 2012-04-27 09:06:27 by liudiwen
[Gromacs ] [已完结][关贴]Gromacs水中的溶菌酶npt平衡出错 (3/2196) 604758762 2012-04-26 2012-04-26 21:11:19 by andylau286
[Gromacs ] [已完结]请大家看看我的磷脂膜初始结构，如何镜像一下？ (2/583) sheva7love 2012-04-24 2012-04-26 09:13:05 by sheva7love
[Gromacs ] GROMACS 中如何输入输出的chain , segname , 等信息？ (0/282) jiaoyixiong 2012-04-24 2012-04-24 20:55:24 by jiaoyixiong
[Gromacs ] [已完结]求Amber实现靶向分子动力学的教程 (2/1046) yanggy169 2012-04-24 2012-04-24 11:11:44 by 377563313
[Gromacs ] [关贴]AMBER生成输入文件的问题？ (0/351) 903566945 2012-04-23 2012-04-23 19:06:34 by 903566945
[Gromacs ] [已完结][关贴]amber怎么更改计算的CPU设置？    ( 1 2 ) (12/885) 903566945 2012-04-18 2012-04-21 16:17:02 by 903566945
[Gromacs ] [已完结]新手学习Gromacs 大概需要多少时间 (8/2573) 卢圣国 2012-03-24 2012-04-21 11:48:47 by mumun
[Gromacs ] [已完结]双铜中心蛋白做分子动力学，如何处理Cu离子立场参数 (1/603) floon 2012-04-20 2012-04-21 11:19:11 by sinokang
[Gromacs ] gromacs 蛋白质自组装 (2/811) liulinlinyan 2012-04-15 2012-04-20 16:38:59 by liulinlinyan
[Gromacs ] [已完结]gromacs模拟 (4/1283) liuyusuc 2012-04-14 2012-04-20 16:36:16 by liuyusuc
[Gromacs ] [已完结][关贴]ambertools安装问题 (1/2135) 0419xuhao 2012-04-19 2012-04-19 23:36:00 by liyincumt
[Gromacs ] 使用Antechambe处理亚铁血红素HEM报错 (3/998) sinokang 2012-04-13 2012-04-19 16:49:10 by sinokang
[Gromacs ] [已完结]用gromacs做传热 (0/342) zhongyunxia 2012-04-17 2012-04-17 10:30:07 by zhongyunxia
[Gromacs ] [已完结]autocorrelation function (0/300) Alice6078 2012-04-17 2012-04-17 03:12:18 by Alice6078
[Gromacs ] [已完结]amber分子模拟结果 (0/270) 措诺有嘉 2012-04-16 2012-04-16 09:08:45 by 措诺有嘉
[Gromacs ] [已完结]gromacs 安装 (0/398) wanghuan7197 2012-04-12 2012-04-12 17:05:06 by wanghuan7197
[Gromacs ] [已完结]想计算配体和受体之间的氢键 能运行 (0/742) codyliu 2012-04-12 2012-04-12 12:30:38 by codyliu
[Gromacs ] [已完结][关贴]求助动力学只需要一段肽链的相关文献 (0/233) cfmzxf84 2012-04-11 2012-04-11 16:21:44 by cfmzxf84
[Gromacs ] [已完结][讨论交流] 分子动力学+分子对接=什么配置? (3/1437) 小李飞到 2012-04-10 2012-04-10 23:18:57 by leo1252
[Gromacs ] [已完结]gromacs新手求助 （CO2的top文件生成过程） (0/1067) zhangfan2192 2012-04-10 2012-04-10 12:32:31 by zhangfan2192
[Gromacs ] 求Gromacs中文手册 (4/1329) mengsk 2012-04-09 2012-04-09 22:41:44 by jiaoyixiong
[Gromacs ] [已完结]【求助】求1OMB.PDB文件 (1/385) mengsk 2012-04-08 2012-04-08 21:54:19 by zh1987hs
[Gromacs ] [已完结]动力学的平衡状态判定依据只能看RMSD吗？请帮忙看看这个快10ns的结果稳定否，谢谢 (2/898) cfmzxf84 2012-04-07 2012-04-08 08:53:52 by wshzxcc
[Gromacs ] [已完结]求助NAMD做动力学遇到的问题 (0/274) speculiar 2012-04-07 2012-04-07 09:26:44 by speculiar
[Gromacs ] NAMD+CHARMM力场的模拟能公开发表么 (2/656) smallhawk 2012-04-04 2012-04-04 20:51:19 by tiankong303
[Gromacs ] [已完结]GROMACS安装时总是出现configure: error: Unknown FFT library，请问是什么原因 (9/3128) hjun79 2012-03-26 2012-04-02 18:54:46 by dubo
[Gromacs ] 求gromacs下QM/MM交作业pbs脚本 (1/1352) astringent 2012-04-01 2012-04-02 18:53:29 by dubo
[Gromacs ] [已完结]关于受体的active与inactive状态模拟 (1/320) lovedi 2012-04-01 2012-04-02 10:30:58 by syhu_007012
[Gromacs ] [已完结]输入小分子的不同pose跑动力学，得到不同的平衡构象，请问正常吗 (4/793) cfmzxf84 2012-04-01 2012-04-01 16:17:31 by ferlich
[Gromacs ] [已完结]amber 保存复合物时出错 (3/711) sunmuer 2012-03-28 2012-03-30 16:50:09 by sinokang
[Gromacs ] [已完结]g_angle (0/179) memgr 2012-03-29 2012-03-29 10:53:26 by memgr
[Gromacs ] 【求助】请教如何使用GROMACS做PMF？ (8/2370) shengxiang 2011-03-11 2012-03-29 06:08:05 by 476992939
[Gromacs ] [已完结]把一个pdb的蛋白质复合物 保存成prmtop 和inpcrd 文件 (3/2065) sunmuer 2012-03-06 2012-03-28 16:54:56 by wangyan10
[Gromacs ] [已完结]amber 小分子出错 (2/329) sunmuer 2012-03-16 2012-03-27 19:54:58 by minbad
[Gromacs ] [已完结]g_sas 怎么区别亲疏水可及表面积 (0/460) xiaoyingw 2012-03-27 2012-03-27 11:13:59 by xiaoyingw
[Gromacs ] [已完结]antechamber是不认磷元素的么 (2/517) xiaoyuanlong 2012-03-18 2012-03-27 10:08:42 by 超人与小木虫
[Gromacs ] [已完结]NAMD新手求助 (0/300) linlin9 2012-03-26 2012-03-26 15:46:35 by linlin9
[Gromacs ] [已完结]NAMD-DREIDING (0/211) sdwp1233 2012-03-26 2012-03-26 09:17:58 by sdwp1233
[Gromacs ] gromacs 固定分子内部结构 (2/961) jessesunlu 2012-03-13 2012-03-23 20:01:09 by jessesunlu
[Gromacs ] [已完结]求教怎样实现文献所说的预组装 (0/200) tsadaye 2012-03-22 2012-03-22 10:09:26 by tsadaye
[Gromacs ] [已完结]作用能正负的意义 (0/790) 小白如水 2012-03-20 2012-03-20 18:35:03 by 小白如水
[Gromacs ] [已完结]amber 动力学 Na+ 坐标出错 (0/227) lanlanok 2012-03-20 2012-03-20 16:45:20 by lanlanok
[Gromacs ] [已完结]本科新手，NAMD 做分子模拟，学习受阻，求教~~ (3/1249) 947468266 2012-01-25 2012-03-20 14:47:30 by linlin9
[Gromacs ] [已完结]借助tcl脚本，VMD可以分析一些特别的分布函数么？ (1/710) 小白如水 2012-03-20 2012-03-20 12:48:02 by 小白如水
[Gromacs ] 【求助】向bay__gulf求助！！    ( 1 2 ) (15/2008) jianchaoyv 2010-06-22 2012-03-17 13:35:49 by 雪扬0613
[Gromacs ] [已完结]VMD分析残基RMSD (0/2332) 蓝紫色玻璃心 2012-03-16 2012-03-16 09:46:38 by 蓝紫色玻璃心
[Gromacs ] [已完结]gromacs tabulated 报错 (0/544) ruthxu 2012-03-15 2012-03-15 23:28:07 by ruthxu
[Gromacs ] [已完结]求助如何生成有机物Amber的输入文件，无PDB文件。 (4/1283) 903566945 2012-02-21 2012-03-15 16:26:04 by jianying8996
[Gromacs ] 【求助】怎么形成碳纳米管 (9/2023) xiaoyingw 2010-12-02 2012-03-15 07:18:01 by wshzxcc
[Gromacs ] 蛋白质pk值的计算 (0/1002) candery 2012-03-14 2012-03-14 20:13:12 by candery
[Gromacs ] [已完结][关贴]分子对接后小分子配体利用AntechAmber构建力场的问题 (1/1365) wangyan10 2012-03-13 2012-03-14 04:02:52 by fantastic
[Gromacs ] [已完结]关于GMX中带基底以及溶剂转换问题 (2/334) 草莓米粑 2012-03-10 2012-03-13 08:47:08 by 草莓米粑
[Gromacs ] [已完结]如何做动力学模拟pdb文件 (4/1474) 志在必得 2012-03-09 2012-03-13 08:26:42 by 郝明
[Gromacs ] [已完结]那位给画个N-H和C=C的分子能级图啊 (3/1221) lnikuaix 2012-03-10 2012-03-11 10:43:39 by awmc2008
[Gromacs ] [已完结]ATP分子力场参数怎么做 (4/2247) 超人与小木虫 2012-03-09 2012-03-10 19:57:43 by 超人与小木虫
[Gromacs ] [已完结]AMBER算cross-correlation analysis脚本 (1/605) lsylsylsy 2011-12-07 2012-03-10 11:52:16 by ning0615
[Gromacs ] [已完结]如何建立非水溶剂盒子 (0/813) 志在必得 2012-03-09 2012-03-09 11:39:34 by 志在必得
[Gromacs ] [已完结]两个盒子叠加问题 (2/1100) zhongyunxia 2012-03-07 2012-03-07 19:49:19 by zhongyunxia
[Gromacs ] [已完结]郎之万动力学出错 (2/1184) 莱维 2012-02-28 2012-03-06 14:14:25 by 莱维
[Gromacs ] [已完结]分window的smd模拟研究探讨 (0/456) dreamtiger 2012-03-05 2012-03-05 11:31:16 by dreamtiger
[Gromacs ] [已完结]Amber中残基的限制 (0/811) 200618530201 2012-03-05 2012-03-05 11:01:28 by 200618530201
[Gromacs ] [已完结]amber 9蛋白质的准备工作 (0/229) sunmuer 2012-03-05 2012-03-05 10:31:01 by sunmuer
[Gromacs ] [已完结]虫友帮忙：知道怎么用gromacs算焓变吗？ (1/654) zhongyunxia 2012-03-02 2012-03-05 08:26:38 by zhongyunxia
[Gromacs ] [已完结][关贴]请教关于模拟退火的问题 (0/1204) budgerigar 2012-03-03 2012-03-03 16:36:24 by budgerigar
[Gromacs ] [已完结][关贴]gromacs 模拟的一个条件判断 (2/411) jiaoyixiong 2012-03-01 2012-03-02 10:46:56 by qphll
[Gromacs ] [已完结]AMBER算高分子怎么用啊？ (1/264) 903566945 2012-03-02 2012-03-02 10:43:22 by caixin5120
[Gromacs ] [已完结]Anal模块 (0/166) ww5945 2012-02-28 2012-02-28 13:53:24 by ww5945
[Gromacs ] [已完结][关贴]AMBER11安装问题 (0/182) 903566945 2012-02-28 2012-02-28 11:37:08 by 903566945
[Gromacs ] [已完结]Gromacs怎么得到 Distribution of spherical cavities (1/356) 小白如水 2012-02-27 2012-02-27 13:21:40 by 小白如水
[Gromacs ] [已完结]弱弱的问：如果蛋白不补齐，可以跑动力学模拟吗？ (1/320) lovedi 2012-02-21 2012-02-24 13:29:52 by ferlich
[Gromacs ] [已完结]粗粒金纳米颗粒参数设置 (0/454) 明月照清渠 2012-02-23 2012-02-23 21:16:16 by 明月照清渠
[Gromacs ] [已完结]关于amber动力学模拟中MM/GBSA的问题 (7/3136) haiyanqian 2012-02-15 2012-02-23 11:00:54 by haiyanqian
[Gromacs ] [已完结]关于NAMD mpi并行问题 (4/1315) wsgchem 2012-02-13 2012-02-21 21:29:18 by gezhenpeng
[Gromacs ] [已完结]有没有人知道磷脂膜导入amber中做动力学该如何处理 (2/347) 200618530201 2012-02-07 2012-02-21 21:02:49 by 梅子oo瑭
[Gromacs ] [已完结]求助，Amber10做并行出错，内附代码，希望前辈指教，谢谢 (2/490) cfmzxf84 2012-02-16 2012-02-19 18:37:15 by godcook
[Gromacs ] [已完结]NAMD中特殊bond定义问题 (2/376) zhengting000 2012-02-17 2012-02-18 18:32:19 by chenjung0825
[Gromacs ] [已完结]gro文件中最后一行数字意义 (3/1312) zhongyunxia 2012-02-17 2012-02-17 16:10:13 by jiaoyixiong
[Gromacs ] [已完结]Amber tools 中的antechamber 必须要在安装了amber11的前体下才能使用么? (4/1407) 小白如水 2012-01-06 2012-02-17 13:20:02 by lovedi
[Gromacs ] [已完结]如何用GROMACS算冰的熔点 (1/565) uuv2010 2012-02-16 2012-02-16 01:52:43 by ChemiAndy
[Gromacs ] [已完结]能量分析 (0/990) 蓝紫色玻璃心 2012-02-15 2012-02-15 15:38:13 by 蓝紫色玻璃心
[Gromacs ] [已完结]纳米金颗粒模拟电荷怎么设置 (0/337) 明月照清渠 2012-02-15 2012-02-15 15:31:45 by 明月照清渠
[Gromacs ] [已完结][关贴]PRODRG2.5生成的小分子topology文件电荷该如何改 (0/1622) 200618530201 2012-02-15 2012-02-15 12:25:03 by 200618530201
[Gromacs ] [已完结]CH3(CH2)14COOH的itp问题 (0/939) zhongyunxia 2012-02-15 2012-02-15 10:52:44 by zhongyunxia
[Gromacs ] [已完结]求助，求AMBER10或者11的可用程序，谢谢各位 (1/306) cfmzxf84 2012-02-14 2012-02-14 09:19:32 by syhu_007012
[Gromacs ] [已完结][关贴]gromacs进行复合物及单独小分子动力学 (0/1036) beta_han 2012-02-13 2012-02-13 22:47:55 by 默寒
[Gromacs ] [已完结]蛋白质自组装与蛋白质折叠 (0/666) liuyusuc 2012-02-13 2012-02-13 18:35:40 by liuyusuc
[Gromacs ] [已完结]Gromacs模拟后，g_angle分析乙烯键角怪异 (1/634) 小白如水 2012-01-11 2012-02-11 21:36:45 by 903566945
[Gromacs ] [已完结][关贴]有没有人将charmm-gui和gromacs联用 (0/2875) 200618530201 2012-02-11 2012-02-11 15:39:00 by 200618530201
[Gromacs ] [已完结]Gromacs教程中的KALP例子中grompp命令出错 (1/345) 200618530201 2012-02-10 2012-02-10 18:09:01 by 200618530201
[Gromacs ] [已完结]Gromacs第一步文件读入/输出错误 (1/190) 200618530201 2012-02-09 2012-02-09 20:17:08 by jiaoyixiong
[Gromacs ] [已完结]GROMACS手册里的pair list generation怎么翻译 (0/199) yanranbaobao 2012-02-09 2012-02-09 17:18:34 by yanranbaobao
[Gromacs ] [已完结]混合膜建模求助 (2/439) sjnyongle 2012-01-26 2012-02-08 09:09:38 by 200618530201
[Gromacs ] [已完结]gromacs 中mdrun命令 (3/2037) astringent 2012-01-24 2012-02-08 04:09:46 by astringent
[Gromacs ] [已完结]MS导pdb (3/643) superstamina 2012-01-18 2012-02-04 23:59:27 by shengxiang
[Gromacs ] [已完结]gromacs计算示例 (3/1407) 明月照清渠 2012-02-02 2012-02-04 23:52:46 by shengxiang
[Gromacs ] [已完结]1-4库伦力 (0/198) memgr 2012-02-03 2012-02-03 09:25:00 by memgr
[Gromacs ] [已完结]请问Amber11在Linux下怎么启动 (3/1208) sfwere 2011-12-30 2012-01-27 10:42:55 by zaq123321
[Gromacs ] [已完结]请问有没有人用Amber或者其他类似的软件做纤维素模拟的？ (0/612) Yolanda9887 2012-01-26 2012-01-26 05:08:05 by Yolanda9887
[Gromacs ] [已完结]groamcs ffg45a3力场 (0/432) memgr 2012-01-16 2012-01-16 10:48:43 by memgr
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